⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11961041 | 0.84 | — | — | |
| SCHEMBL11892800 | 0.84 | HMGCR (0.32) | — | |
| SCHEMBL10061186 | 0.83 | MAPT (0.32) | — | |
| SCHEMBL11960884 | 0.83 | — | — | |
| SCHEMBL686121 | 0.81 | — | — | |
| SCHEMBL440025 | 0.80 | — | — | |
| SCHEMBL12057576 | 0.80 | — | — | |
| SCHEMBL13371172 | 0.80 | — | — | |
| SCHEMBL685738 | 0.79 | KDM4E (0.30) | — | |
| SCHEMBL12869731 | 0.79 | ICAM1 (0.32) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110091808-A1 | PHOTORESIST COMPOSITION | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-04-21 | — | — | US | disclosed |